SCHEMBL2249759

SCHEMBL2249759

CCOc1cccc(-c2ccc(C(=O)N([C@@H](CCC(N)=O)C(=O)O)C(C)(C)Cc3ccccc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
ICMT O60725 6/20 0.42
HSD17B2 P37059 2/20 0.41
FFAR1 O14842 1/20 0.40
SLC13A5 Q86YT5 1/20 0.40
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ROCK2 O75116 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ROCK1 Q13464 1/20 0.38
MMP2 P08253 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
LTC4S Q16873 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2244933 0.91 HSD17B2 (0.51) HSD17B2FFAR1SLC13A5F2F10
SCHEMBL2245867 0.88 MMP2 (0.40) HSD17B2MMP2PTGESALOX5
SCHEMBL2247850 0.87 PTGES (0.43) FFAR1PTGESALOX5LTC4S
SCHEMBL2244641 0.86 MMP2 (0.38) ICMTHSD17B2FFAR1MMP2
SCHEMBL2244683 0.86 SPHK2 (0.43) HSD17B2FFAR1PTGESALOX5LTC4S
SCHEMBL4623518 0.85 BCL2 (0.43) RXRARXRBPTGESALOX5LTC4S
SCHEMBL2247786 0.85 HSD17B2 (0.46) HSD17B2FFAR1SLC13A5MMP2PTGES
SCHEMBL2252057 0.84 MME (0.39) RXRARXRBF2F10PRSS1
SCHEMBL2250531 0.84 HSD17B2 (0.43) HSD17B2FFAR1PTGESALOX5LTC4S
SCHEMBL2244927 0.83 PPARG (0.37) F2MMP2PTGESALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 RXRA 4116/4885RXRB 3621/4885ICMT 4596/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 RXRA 4116/4885RXRB 3621/4885ICMT 4596/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.